2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O5S/c1-17-6-9-20(26(28)29)14-21(17)25(32(2,30)31)16-22(27)23-15-18-7-10-19(11-8-18)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,27)